General Information of the Compound
| Compound ID |
CP0570821
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| Compound Name |
3-[(2-amino-3-methylquinolin-7-yl)methyl]-N-methyl-N-phenyltriazole-4-carboxamide
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| Structure |
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| Formula |
C21H20N6O
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| Molecular Weight |
372.432
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| Canonical SMILES |
CN(C(=O)c1cnnn1Cc1ccc2cc(C)c(N)nc2c1)c1ccccc1
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| InChI |
InChI=1S/C21H20N6O/c1-14-10-16-9-8-15(11-18(16)24-20(14)22)13-27-19(12-23-25-27)21(28)26(2)17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H2,22,24)
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| InChIKey |
MWNZUVOUWQGFJW-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound